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	hartrees
Energy at 0K	-992.883878
Energy at 298.15K	-992.888634
HF Energy	-992.431525
Nuclear repulsion energy	206.795761

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3210	3054	4.47
2	A'	3191	3036	0.62
3	A'	3103	2952	3.24
4	A'	1583	1506	8.74
5	A'	1503	1430	11.61
6	A'	1377	1310	9.82
7	A'	1133	1078	1.15
8	A'	1004	955	14.82
9	A'	643	611	12.04
10	A'	411	391	4.81
11	A'	281	267	1.14
12	A"	3183	3028	4.42
13	A"	1587	1509	3.84
14	A"	1322	1258	37.64
15	A"	1147	1091	32.55
16	A"	684	651	99.28
17	A"	330	314	0.72
18	A"	284	270	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.558	0.000
C2	-1.482	0.941	0.000
H3	0.654	1.426	0.000
Cl4	0.404	-0.398	1.481
Cl5	0.404	-0.398	-1.481
H6	-2.097	0.037	0.000
H7	-1.704	1.531	0.894
H8	-1.704	1.531	-0.894

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5309	1.0870	1.8084	1.8084	2.1603	2.1562	2.1562
C2	1.5309		2.1909	2.7465	2.7465	1.0922	1.0938	1.0938
H3	1.0870	2.1909		2.3628	2.3628	3.0814	2.5240	2.5240
Cl4	1.8084	2.7465	2.3628		2.9622	2.9389	2.9171	3.7154
Cl5	1.8084	2.7465	2.3628	2.9622		2.9389	3.7154	2.9171
H6	2.1603	1.0922	3.0814	2.9389	2.9389		1.7842	1.7842
H7	2.1562	1.0938	2.5240	2.9171	3.7154	1.7842		1.7874
H8	2.1562	1.0938	2.5240	3.7154	2.9171	1.7842	1.7874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.757	C1	C2	H7	109.345
C1	C2	H8	109.345	C2	C1	H3	112.523
C2	C1	Cl4	110.393	C2	C1	Cl5	110.393
H3	C1	Cl4	106.714	H3	C1	Cl5	106.714
Cl4	C1	Cl5	109.971	H6	C2	H7	109.403
H6	C2	H8	109.403	H7	C2	H8	109.575

All results from a given calculation for CH₃CHCl₂ (Ethane, 1,1-dichloro-)

using model chemistry: MP2/3-21G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH3CHCl2 (Ethane, 1,1-dichloro-)

using model chemistry: MP2/3-21G*

States and conformations

All results from a given calculation for CH₃CHCl₂ (Ethane, 1,1-dichloro-)